Mol:FL2FA9NI0005

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 25 27  0  0  0  0  0  0  0  0999 V2000 
   -1.7374   -0.2770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7374   -0.9193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1811   -1.2405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6248   -0.9193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6248   -0.2770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1811    0.0442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0685   -1.2405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4878   -0.9193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4878   -0.2770    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -0.0685    0.0442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0439    0.0441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6109   -0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1779    0.0441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1779    0.6988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6109    1.0261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0439    0.6988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0685   -1.7843    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1811   -1.8826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1779   -0.0227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1811    0.6601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7206    0.9716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7206    1.9716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8545    2.4716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5866    2.4716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5866    3.4716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  0  0  0  0 
  2  3  2  0  0  0  0 
  3  4  1  0  0  0  0 
  4  5  2  0  0  0  0 
  5  6  1  0  0  0  0 
  6  1  2  0  0  0  0 
  4  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10  5  1  0  0  0  0 
  9 11  1  0  0  0  0 
 11 12  2  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  2  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  2  0  0  0  0 
 16 11  1  0  0  0  0 
  7 17  2  0  0  0  0 
  3 18  1  0  0  0  0 
  1 19  1  0  0  0  0 
  6 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 21 22  2  0  0  0  0 
 22 23  1  0  0  0  0 
 22 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  24  25 
M  SBL   1  1  26 
M  SMT   1  CH2OH 
M  SVB   1 26   -0.8145    1.3774 
S  SKP  8 
ID	FL2FA9NI0005 
KNApSAcK_ID	C00008174 
NAME	5,7-Dihydroxy-8-C-(4-hydroxy-3-methyl-2-butenyl)flavanone 
CAS_RN	74161-06-1 
FORMULA	C20H20O5 
EXACTMASS	340.13107375 
AVERAGEMASS	340.3698 
SMILES	C(=O)(C2)c(c1OC2c(c3)cccc3)c(cc(O)c(CC=C(CO)C)1)O 
M  END